2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide

C17H21N3O3 — CID 121058886

IUPAC2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCn2nc(C)ccc2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-3-23-15-7-5-14(6-8-15)12-16(21)18-10-11-20-17(22)9-4-13(2)19-20/h4-9H,3,10-12H2,1-2H3,(H,18,21)
InChIKeyHBAONOJAGXNVAF-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.31
Rot. Bonds7

About 2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide

2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide (PubChem CID 121058886) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
PubChem CID121058886
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
SMILESCCOc1ccc(CC(=O)NCCn2nc(C)ccc2=O)cc1
InChIInChI=1S/C17H21N3O3/c1-3-23-15-7-5-14(6-8-15)12-16(21)18-10-11-20-17(22)9-4-13(2)19-20/h4-9H,3,10-12H2,1-2H3,(H,18,21)
InChIKeyHBAONOJAGXNVAF-UHFFFAOYSA-N
XLogP1.31
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide
CID 121058930
N-[2-(4,5-dimethyl-6-oxopyrimidin-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121120629
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 121059030
2-(4-ethoxyphenyl)-N-[2-(5-methyl-6-oxopyrimidin-1-yl)ethyl]acetamide
CID 121121023
N-[2-(3,5-dicyclopropylpyrazol-1-yl)ethyl]-2-(4-ethoxyphenyl)acetamide
CID 121139246
2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121050519
N-[2-[4-(4-ethoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 121106541
ethyl N-[2-[[2-(4-ethoxyphenyl)acetyl]amino]ethyl]carbamate
CID 108573122
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 121033720
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-methoxybenzamide
CID 41241118
2-(4-fluorophenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]acetamide
CID 18569662
N-[2-[3-(4-ethoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-4-iodobenzamide
CID 41241225

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
The IUPAC name of 2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide (CID 121058886) is 2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide is CCOc1ccc(CC(=O)NCCn2nc(C)ccc2=O)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
The InChIKey is HBAONOJAGXNVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-23-15-7-5-14(6-8-15)12-16(21)18-10-11-20-17(22)9-4-13(2)19-20/h4-9H,3,10-12H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide?
2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121058886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).